Achieving High Speed CFD simulations: Optimization, Parallelization, and FPGA Acceleration for the unstructured DLR TAU Code

Today, large scale parallel simulations are fundamental tools to handle complex problems. The number of processors in current computation platforms has been recently increased and therefore it is necessary to optimize the application performance and to enhance the scalability of massively-parallel systems. In addition, new heterogeneous architectures, combining conventional processors with specific hardware, like FPGAs, to accelerate the most time consuming functions are considered as a strong alternative to boost the performance. In this paper, the performance of the DLR TAU code is analyzed and optimized. The improvement of the code efficiency is addressed through three key activities: Optimization, parallelization and hardware acceleration. At first, a profiling analysis of the most time-consuming processes of the Reynolds Averaged Navier Stokes flow solver on a three-dimensional unstructured mesh is performed. Then, a study of the code scalability with new partitioning algorithms are tested to show the most suitable partitioning algorithms for the selected applications. Finally, a feasibility study on the application of FPGAs and GPUs for the hardware acceleration of CFD simulations is presented

A performance focused, development friendly and model aided parallelization strategy for scientific applications

The amelioration of high performance computing platforms has provided unprecedented computing power with the evolution of multi-core CPUs, massively parallel architectures such as General Purpose Graphics Processing Units (GPGPUs) and Many Integrated Core (MIC) architectures such as Intel\u27s Xeon phi coprocessor. However, it is a great challenge to leverage capabilities of such advanced supercomputing hardware, as it requires efficient and effective parallelization of scientific applications. This task is difficult mainly due to complexity of scientific algorithms coupled with the variety of available hardware and disparate programming models. To address the aforementioned challenges, this thesis presents a parallelization strategy to accelerate scientific applications that maximizes the opportunities of achieving speedup while minimizing the development efforts. Parallelization is a three step process (1) choose a compatible combination of architecture and parallel programming language, (2) translate base code/algorithm to a parallel language and (3) optimize and tune the application. In this research, a quantitative comparison of run time for various implementations of k-means algorithm, is used to establish that native languages (OpenMP, MPI, CUDA) perform better on respective architectures as opposed to vendor-neutral languages such as OpenCL. A qualitative model is used to select an optimal architecture for a given application by aligning the capabilities of accelerators with characteristics of the application. Once the optimal architecture is chosen, the corresponding native language is employed. This approach provides the best performance with reasonable accuracy (78%) of predicting a fitting combination, while eliminating the need for exploring different architectures individually. It reduces the required development efforts considerably as the application need not be re-written in multiple languages. The focus can be solely on optimization and tuning to achieve the best performance on available architectures with minimized investment in terms of cost and efforts. To verify the prediction accuracy of the qualitative model, the OpenDwarfs benchmark suite, which implements the Berkeley\u27s dwarfs in OpenCL, is used. A dwarf is an algorithmic method that captures a pattern of computation and communication. For the purpose of this research, the focus is on 9 application from various algorithmic domains that cover the seven dwarfs of symbolic computation, which were identified by Phillip Colella, as omnipresent in scientific and engineering applications. To validate the parallelization strategy collectively, a case study is undertaken. This case study involves parallelization of the Lower Upper Decomposition for the Gaussian Elimination algorithm from the linear algebra domain, using conventional trial and error methods as well as the proposed \u27Architecture First, Language Later\u27\u27 strategy. The development efforts incurred are contrasted for both methods. The aforesaid proposed strategy is observed to reduce the development efforts by an average of 50%

Scalability prediction for fundamental performance factors

Inferring the expected performance for parallel applications is getting harder than ever; applications need to be modeled for restricted or nonexistent systems and performance analysts are required to identify and extrapolate their behavior using only the available resources. Prediction models can be based on detailed knowledge of the application algorithms or on blindly trying to extrapolate measurements from existing architectures and codes. This paper describes the work done to define an intermediate methodology where the combination of (a) the essential knowledge about fundamental factors in parallel codes, and (b) detailed analysis of the application behavior at low core counts on current platforms, guides the modeling efforts to estimate behavior at very large core counts. Our methodology integrates the use of several components like instrumentation package, visualization tools, simulators, analytical models and very high level information from the application running on systems in production to build a performance model.This work has been partially supported by the Intel-BSC Exascale Lab and the DEEP Project.Peer ReviewedPostprint (published version

Integrating multiple clusters for compute-intensive applications

Multicluster grids provide one promising solution to satisfying the growing computational demands of compute-intensive applications. However, it is challenging to seamlessly integrate all participating clusters in different domains into a single virtual computational platform. In order to fully utilize the capabilities of multicluster grids, computer scientists need to deal with the issue of joining together participating autonomic systems practically and efficiently to execute grid-enabled applications. Driven by several compute-intensive applications, this theses develops a multicluster grid management toolkit called Pelecanus to bridge the gap between user\u27s needs and the system\u27s heterogeneity. Application scientists will be able to conduct very large-scale execution across multiclusters with transparent QoS assurance. A novel model called DA-TC (Dynamic Assignment with Task Containers) is developed and is integrated into Pelecanus. This model uses the concept of a task container that allows one to decouple resource allocation from resource binding. It employs static load balancing for task container distribution and dynamic load balancing for task assignment. The slowest resources become useful rather than be bottlenecks in this manner. A cluster abstraction is implemented, which not only provides various cluster information for the DA-TC execution model, but also can be used as a standalone toolkit to monitor and evaluate the clusters\u27 functionality and performance. The performance of the proposed DA-TC model is evaluated both theoretically and experimentally. Results demonstrate the importance of reducing queuing time in decreasing the total turnaround time for an application. Experiments were conducted to understand the performance of various aspects of the DA-TC model. Experiments showed that our model could significantly reduce turnaround time and increase resource utilization for our targeted application scenarios. Four applications are implemented as case studies to determine the applicability of the DA-TC model. In each case the turnaround time is greatly reduced, which demonstrates that the DA-TC model is efficient for assisting application scientists in conducting their research. In addition, virtual resources were integrated into the DA-TC model for application execution. Experiments show that the execution model proposed in this thesis can work seamlessly with multiple hybrid grid/cloud resources to achieve reduced turnaround time

Autonomous grid scheduling using probabilistic job runtime scheduling

Computational Grids are evolving into a global, service-oriented architecture – a universal platform for delivering future computational services to a range of applications of varying complexity and resource requirements. The thesis focuses on developing a new scheduling model for general-purpose, utility clusters based on the concept of user requested job completion deadlines. In such a system, a user would be able to request each job to finish by a certain deadline, and possibly to a certain monetary cost. Implementing deadline scheduling is dependent on the ability to predict the execution time of each queued job, and on an adaptive scheduling algorithm able to use those predictions to maximise deadline adherence. The thesis proposes novel solutions to these two problems and documents their implementation in a largely autonomous and self-managing way. The starting point of the work is an extensive analysis of a representative Grid workload revealing consistent workflow patterns, usage cycles and correlations between the execution times of jobs and its properties commonly collected by the Grid middleware for accounting purposes. An automated approach is proposed to identify these dependencies and use them to partition the highly variable workload into subsets of more consistent and predictable behaviour. A range of time-series forecasting models, applied in this context for the first time, were used to model the job execution times as a function of their historical behaviour and associated properties. Based on the resulting predictions of job runtimes a novel scheduling algorithm is able to estimate the latest job start time necessary to meet the requested deadline and sort the queue accordingly to minimise the amount of deadline overrun. The testing of the proposed approach was done using the actual job trace collected from a production Grid facility. The best performing execution time predictor (the auto-regressive moving average method) coupled to workload partitioning based on three simultaneous job properties returned the median absolute percentage error centroid of only 4.75%. This level of prediction accuracy enabled the proposed deadline scheduling method to reduce the average deadline overrun time ten-fold compared to the benchmark batch scheduler. Overall, the thesis demonstrates that deadline scheduling of computational jobs on the Grid is achievable using statistical forecasting of job execution times based on historical information. The proposed approach is easily implementable, substantially self-managing and better matched to the human workflow making it well suited for implementation in the utility Grids of the future

Data-Intensive Computing in Smart Microgrids

Microgrids have recently emerged as the building block of a smart grid, combining distributed renewable energy sources, energy storage devices, and load management in order to improve power system reliability, enhance sustainable development, and reduce carbon emissions. At the same time, rapid advancements in sensor and metering technologies, wireless and network communication, as well as cloud and fog computing are leading to the collection and accumulation of large amounts of data (e.g., device status data, energy generation data, consumption data). The application of big data analysis techniques (e.g., forecasting, classification, clustering) on such data can optimize the power generation and operation in real time by accurately predicting electricity demands, discovering electricity consumption patterns, and developing dynamic pricing mechanisms. An efficient and intelligent analysis of the data will enable smart microgrids to detect and recover from failures quickly, respond to electricity demand swiftly, supply more reliable and economical energy, and enable customers to have more control over their energy use. Overall, data-intensive analytics can provide effective and efficient decision support for all of the producers, operators, customers, and regulators in smart microgrids, in order to achieve holistic smart energy management, including energy generation, transmission, distribution, and demand-side management. This book contains an assortment of relevant novel research contributions that provide real-world applications of data-intensive analytics in smart grids and contribute to the dissemination of new ideas in this area